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Compound Detail

CHEMBL434541

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NC(CC(=O)OCc1ccccc1)C(=O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL434541
Phase Preclinical
Structure Type MOL
InChI Key VHJYJOSTQMIPEC-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
0.88
ALogP
5
HBA
2
HBD
106.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO5
MW 279.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.30

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15341490 10.1021/jm040780c Solute carrier family 15 member 1 2

Data from ChEMBL 36 via Core Engine